5-amino-3-pyrrolidin-1-yl-1H-pyrazole-4-carbonitrile

C8H11N5 — CID 4962701

IUPAC5-amino-3-pyrrolidin-1-yl-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(N2CCCC2)n[nH]c1N
InChIInChI=1S/C8H11N5/c9-5-6-7(10)11-12-8(6)13-3-1-2-4-13/h1-4H2,(H3,10,11,12)
InChIKeyRQDSNKYYHIZWJX-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.46
Rot. Bonds1

About 5-amino-3-pyrrolidin-1-yl-1H-pyrazole-4-carbonitrile

5-amino-3-pyrrolidin-1-yl-1H-pyrazole-4-carbonitrile (PubChem CID 4962701) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 5-amino-3-pyrrolidin-1-yl-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-pyrrolidin-1-yl-1H-pyrazole-4-carbonitrile
PubChem CID4962701
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name5-amino-3-pyrrolidin-1-yl-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(N2CCCC2)n[nH]c1N
InChIInChI=1S/C8H11N5/c9-5-6-7(10)11-12-8(6)13-3-1-2-4-13/h1-4H2,(H3,10,11,12)
InChIKeyRQDSNKYYHIZWJX-UHFFFAOYSA-N
XLogP0.46
TPSA81.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-pyrrolidin-1-yl-1H-pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-pyrrolidin-1-yl-1H-pyrazole-4-carbonitrile (CID 4962701) is 5-amino-3-pyrrolidin-1-yl-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-pyrrolidin-1-yl-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-pyrrolidin-1-yl-1H-pyrazole-4-carbonitrile is N#Cc1c(N2CCCC2)n[nH]c1N.
What is the InChIKey of 5-amino-3-pyrrolidin-1-yl-1H-pyrazole-4-carbonitrile?
The InChIKey is RQDSNKYYHIZWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c9-5-6-7(10)11-12-8(6)13-3-1-2-4-13/h1-4H2,(H3,10,11,12).
What are the key properties of 5-amino-3-pyrrolidin-1-yl-1H-pyrazole-4-carbonitrile?
5-amino-3-pyrrolidin-1-yl-1H-pyrazole-4-carbonitrile has a molecular weight of 177.21 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-pyrrolidin-1-yl-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 4962701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).